canSAR863376
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C67H79N13O20S/c1-35(81)57-65(97)77-49(27-37-13-6-3-7-14-37)66(98)80-24-10-17-51(80)64(96)78-50(67(99)100)33-101-34-54(85)72-46(28-39-31-69-42-16-9-8-15-41(39)42)61(93)74-45(25-36-11-4-2-5-12-36)60(92)73-43(22-23-55(86)87)58(90)70-32-53(84)71-44(26-38-18-20-40(82)21-19-38)59(91)76-48(30-56(88)89)62(94)75-47(29-52(68)83)63(95)79-57/h2-9,11-16,18-21,31,35,43-51,57,69,81-82H,10,17,22-30,32-34H2,1H3,(H2,68,83)(H,70,90)(H,71,84)(H,72,85)(H,73,92)(H,74,93)(H,75,94)(H,76,91)(H,77,97)(H,78,96)(H,79,95)(H,86,87)(H,88,89)(H,99,100)/t35-,43-,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1
    MOLECULAR FORMULA
    C67H79N13O20S
    CROSS REFERENCES
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    canSAR863376
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1417.53
    AlogP-2.96
    HBond donors18
    HBond acceptors33
    Atoms180
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR863376.